N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C24H26ClN3O2S MolecularWeight: 456.00014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C

InChI

InChI=1S/C24H26ClN3O2S/c1-14-12-15(2)21(19(25)13-14)27-22(29)16(3)31-24-26-20-11-7-6-10-18(20)23(30)28(24)17-8-4-5-9-17/h6-7,10-13,16-17H,4-5,8-9H2,1-3H3,(H,27,29)